| SpectraBase Compound ID | G5HfUBeDfG5 |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-14-19-25-21(23)17-12-13-18-22(24)26-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3 |
| InChIKey | CYDUTCNVBVCEQI-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfvHONoDNsB |
|---|---|
| Name | Adipic acid, decyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-14-19-25-21(23)17-12-13-18-22(24)26-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3 |
| InChIKey | CYDUTCNVBVCEQI-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCC(=O)OC1=CC=CC=C1)CC(OCCCCCCCCCC)=O |